| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | GSK3B | GSK3B_HUMAN | 8DJEA | P49841 | 36 | 384 | 420.0 | U6S:501 | Type1 | Active | DFGin | 7.2598 | 13.3694 | BLAminus | -139.51, 175.88 | 67.17, 88.55 | -102.31, 22.49 | 287.71, 78.25 | -63.99, -27.99 | in-in | in | 8.3126 | Saltbr-in | 2.7163 | HRD-in | -68.38, -45.52 | 70.24, 12.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8928 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -84.85, 166.32 | APE9-dihe-na | 87.14, 140.36 | APE8-dihe-in | -88.6, 149.46 | APE8-rot-in | 293.07 | APE67-dihe-inflip | 99.13, -30.7 | -44.53, 124.89 | APE12-dist-in | 12.957 | APE11-dist-in | 10.8666 | APE10-dist-in | 6.0436 | APE9-dist-in | 3.3533 | None | None | None | XRAY | 2.374 | 0.201 | 0.227 | A | 441.0 | 347.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8dje | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 1.0 | 301.0 | 301.0 | 199 | 200 | 201 | 203 | 205 | 85 | 97 | 101 | 178 | 180 | 179 | 181.0 | 239 | 226 | 221 | 220 | 219 | 218 | 217 | 216 | 215 | 133 | Glycogen synthase kinase-3 beta |
| CMGC | GSK3B | GSK3B_HUMAN | 8DJEB | P49841 | 36 | 385 | 420.0 | U6S:501 | Type1 | Active | DFGin | 7.2394 | 13.4205 | BLAminus | -137.87, 177.52 | 63.92, 86.56 | -101.17, 24.78 | 290.39, 74.84 | -68.33, -25.47 | in-in | in | 8.2646 | Saltbr-in | 2.7355 | HRD-in | -65.34, -46.08 | 68.76, 12.58 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8895 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.12, 167.71 | APE9-dihe-na | 84.3, 145.94 | APE8-dihe-in | -98.8, 148.34 | APE8-rot-in | 293.36 | APE67-dihe-inflip | 97.13, -37.27 | -40.76, 129.94 | APE12-dist-in | 12.9575 | APE11-dist-in | 10.9317 | APE10-dist-in | 5.908 | APE9-dist-in | 3.263 | None | None | None | XRAY | 2.374 | 0.201 | 0.227 | B | 441.0 | 343.0 | 7 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8dje | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 1.0 | 301.0 | 301.0 | 199 | 200 | 201 | 203 | 205 | 85 | 97 | 101 | 178 | 180 | 179 | 181.0 | 239 | 226 | 221 | 220 | 219 | 218 | 217 | 216 | 215 | 133 | Glycogen synthase kinase-3 beta |
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CMGC | GSK3B | GSK3B_HUMAN | 8DJEA | P49841 | 36 | 384 | 420.0 | U6S:501 | Type1 | Active | DFGin | 7.2598 | 13.3694 | BLAminus | -139.51, 175.88 | 67.17, 88.55 | -102.31, 22.49 | 287.71, 78.25 | -63.99, -27.99 | in-in | in | 8.3126 | Saltbr-in | 2.7163 | HRD-in | -68.38, -45.52 | 70.24, 12.16 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8928 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -84.85, 166.32 | APE9-dihe-na | 87.14, 140.36 | APE8-dihe-in | -88.6, 149.46 | APE8-rot-in | 293.07 | APE67-dihe-inflip | 99.13, -30.7 | -44.53, 124.89 | APE12-dist-in | 12.957 | APE11-dist-in | 10.8666 | APE10-dist-in | 6.0436 | APE9-dist-in | 3.3533 | None | None | None | XRAY | 2.374 | 0.201 | 0.227 | A | 441.0 | 347.0 | 2 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8dje | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 1.0 | 301.0 | 301.0 | 199 | 200 | 201 | 203 | 205 | 85 | 97 | 101 | 178 | 180 | 179 | 181.0 | 239 | 226 | 221 | 220 | 219 | 218 | 217 | 216 | 215 | 133 | Glycogen synthase kinase-3 beta |
| CMGC | GSK3B | GSK3B_HUMAN | 8DJEB | P49841 | 36 | 385 | 420.0 | U6S:501 | Type1 | Active | DFGin | 7.2394 | 13.4205 | BLAminus | -137.87, 177.52 | 63.92, 86.56 | -101.17, 24.78 | 290.39, 74.84 | -68.33, -25.47 | in-in | in | 8.2646 | Saltbr-in | 2.7355 | HRD-in | -65.34, -46.08 | 68.76, 12.58 | in-in-in | SNCiii | in-in | ActLoopNT-in | 2.8895 | ActLoopCT-in | nonTYR | APEdihe_aaiii | APEdist_iiii | APE10-dihe-na | -83.12, 167.71 | APE9-dihe-na | 84.3, 145.94 | APE8-dihe-in | -98.8, 148.34 | APE8-rot-in | 293.36 | APE67-dihe-inflip | 97.13, -37.27 | -40.76, 129.94 | APE12-dist-in | 12.9575 | APE11-dist-in | 10.9317 | APE10-dist-in | 5.908 | APE9-dist-in | 3.263 | None | None | None | XRAY | 2.374 | 0.201 | 0.227 | B | 441.0 | 343.0 | 7 | 27 | 27 | 0 | [[56, 340]] | 1.0 | 8dje | Homo sapiens | CMGC_GSK3B_HUMAN | CMGC | 3.7e-70 | 242.6 | 1.0 | 301.0 | 301.0 | 199 | 200 | 201 | 203 | 205 | 85 | 97 | 101 | 178 | 180 | 179 | 181.0 | 239 | 226 | 221 | 220 | 219 | 218 | 217 | 216 | 215 | 133 | Glycogen synthase kinase-3 beta |
| Spatial label | Dihedral label | Number of Chains | Percent | Representative |
|---|
| Group | Gene | SwissprotID | PDB | UniprotID | First_obs_res | Last_obs_res | Length_Unp | Ligand | Ligand_type | Activity_label | Spatial_label | Phe_Glu4_dis | Phe_Lys_dis | Dihedral_label | XDFG φ,ψ |
DFG-Asp φ,ψ |
DFG-Phe φ,ψ |
DFG-Phe χ1,χ2 |
DFG-Gly φ,ψ |
ChelixSaltbr_label | Chelix_label | Lys_Glu_dis | Saltbr_label | LysNZ_GluOE_dis | HRD_label | His φ,ψ | Arg φ,ψ | SNC_label | SNCpymol_label | ActLoop_label | ActLoopNT_label | DFG6_XHRD_dis | ActLoopCT_label | APEtype | APEdihe_label | APEdist_label | APE10_dihe_label | APE10 φ,ψ | APE9_dihe_label | APE9 φ,ψ | APE8_dihe_label | APE8 φ,ψ | APE8_rotamer_label | APE8 χ1 | APE67_label | APE6 φ,ψ | APE7 φ,ψ | APE12_dist_label | APE12_DFG4_dis | APE11_dist_label | APE11_DFG4_dis | APE10_dist_label | APE10_DFG4_dis | APE9_dist_label | APE9_Arg_dis | Chain_mut | Chain_phos | Modified_aa | Method | Resolution | Rvalue | FreeRvalue | Chain_id | ChainLen | Ordered_residues | DomainBreak | ActLoopLength | ActLoopResolvedResidues | ActLoopDisorderedResidues | Kinase_domains_Unp | N_Kinase_domains_Unp | pdb | Species | Kincore_name | hmm | Evalue | Score | hmmbeg | hmmend | hmmlen | XDFGnum | DFGnum | PHEnum | DFG4num | DFG6num | LYSnum | GLUnum | GLU4num | XHRDnum | ARGnum | HRDnum | HRDaspnum | aFaspnum | APEnum | APE6num | APE7num | APE8num | APE9num | APE10num | APE11num | APE12num | Hinge1num | Protein_name |
|---|